AE-641/12195178
TL;DR: AE-641/12195178 (CAS 459789-71-0) is a chemical compound with molecular formula C22H24ClNO6 and molecular weight 433.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-tert-butyl 2-O-(8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) pyrrolidine-1,2-dicarboxylate
Also Known As: AE-641/12195178, 1-tert-butyl 2-(8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl) 1,2-pyrrolidinedicarboxylate, 1-tert-butyl 2-(8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl) pyrrolidine-1,2-dicarboxylate, 1-O-tert-butyl 2-O-(8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) pyrrolidine-1,2-dicarboxylate, 1-tert-butyl 2-{12-chloro-7-oxo-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),10,12-tetraen-11-yl} pyrrolidine-1,2-dicarboxylate
| Molecular Formula | C22H24ClNO6 |
|---|---|
| Molecular Weight | 433.13 g/mol |
| LogP | 4.24 |
| Topological Polar Surface Area | 86.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 433.1292 |
| Heavy Atoms | 30 |
| Complexity | 1083.6951 |
Chemical Identifiers
| CAS Number | 459789-71-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCCC1C(=O)OC2=C(C=C3C4=C(CCC4)C(=O)OC3=C2)Cl |
Product Overview
AE-641/12195178 (CAS 459789-71-0), with molecular formula C22H24ClNO6 and molecular weight 433.13 g/mol. IUPAC: 1-O-tert-butyl 2-O-(8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) pyrrolidine-1,2-dicarboxylate.
Chemical Property Profile of AE-641/12195178
Property Insights of AE-641/12195178
The XLogP value of 4.24 indicates that AE-641/12195178 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.05 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/12195178. Following Lipinski's Rule of Five, AE-641/12195178 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-641/12195178?
The CAS number of AE-641/12195178 is 459789-71-0.
What is the molecular formula of AE-641/12195178?
The molecular formula of AE-641/12195178 is C22H24ClNO6.
What is the molecular weight of AE-641/12195178?
The molecular weight of AE-641/12195178 is 433.13 g/mol.
Where can I buy AE-641/12195178?
You can request a quote for AE-641/12195178 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/12195178?
Yes, KEHONG BIO provides custom synthesis services for AE-641/12195178 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.